##### Number of atoms and sorts ##### 30 13 ##### Atom to sort index and max L ##### 1 12 0 1 0 2 11 0 1 0 3 11 0 1 0 4 10 0 1 0 5 9 0 1 0 6 8 2 2 0 7 7 2 2 0 8 7 2 2 0 9 6 2 2 0 10 5 3 3 0 11 4 2 2 0 12 3 2 2 0 13 3 2 2 0 14 2 2 2 0 15 1 3 3 0 16 2 2 2 0 17 3 2 2 0 18 3 2 2 0 19 4 2 2 0 20 5 3 3 0 21 6 2 2 0 22 7 2 2 0 23 7 2 2 0 24 8 2 2 0 25 9 0 1 0 26 10 0 1 0 27 11 0 1 0 28 11 0 1 0 29 12 0 1 0 30 13 0 1 0 ##### Orbital presence array ##### ##### Atom #, l and is there ##### 1 0 T 2 0 T 3 0 T 4 0 T 5 0 T 6 0 T 6 1 T 6 2 T 7 0 T 7 1 T 7 2 T 8 0 T 8 1 T 8 2 T 9 0 T 9 1 T 9 2 T 10 0 T 10 1 T 10 2 T 10 3 T 11 0 T 11 1 T 11 2 T 12 0 T 12 1 T 12 2 T 13 0 T 13 1 T 13 2 T 14 0 T 14 1 T 14 2 T 15 0 T 15 1 T 15 2 T 15 3 T 16 0 T 16 1 T 16 2 T 17 0 T 17 1 T 17 2 T 18 0 T 18 1 T 18 2 T 19 0 T 19 1 T 19 2 T 20 0 T 20 1 T 20 2 T 20 3 T 21 0 T 21 1 T 21 2 T 22 0 T 22 1 T 22 2 T 23 0 T 23 1 T 23 2 T 24 0 T 24 1 T 24 2 T 25 0 T 26 0 T 27 0 T 28 0 T 29 0 T 30 0 T ##### Hamiltonian index array ##### ##### Atom, l, m and index ##### 1 0 0 1 2 0 0 2 3 0 0 3 4 0 0 4 5 0 0 5 6 0 0 6 6 1 -1 7 6 1 0 8 6 1 1 9 6 2 -2 10 6 2 -1 11 6 2 0 12 6 2 1 13 6 2 2 14 7 0 0 15 7 1 -1 16 7 1 0 17 7 1 1 18 7 2 -2 19 7 2 -1 20 7 2 0 21 7 2 1 22 7 2 2 23 8 0 0 24 8 1 -1 25 8 1 0 26 8 1 1 27 8 2 -2 28 8 2 -1 29 8 2 0 30 8 2 1 31 8 2 2 32 9 0 0 33 9 1 -1 34 9 1 0 35 9 1 1 36 9 2 -2 37 9 2 -1 38 9 2 0 39 9 2 1 40 9 2 2 41 10 0 0 42 10 1 -1 43 10 1 0 44 10 1 1 45 10 2 -2 46 10 2 -1 47 10 2 0 48 10 2 1 49 10 2 2 50 10 3 -3 51 10 3 -2 52 10 3 -1 53 10 3 0 54 10 3 1 55 10 3 2 56 10 3 3 57 11 0 0 58 11 1 -1 59 11 1 0 60 11 1 1 61 11 2 -2 62 11 2 -1 63 11 2 0 64 11 2 1 65 11 2 2 66 12 0 0 67 12 1 -1 68 12 1 0 69 12 1 1 70 12 2 -2 71 12 2 -1 72 12 2 0 73 12 2 1 74 12 2 2 75 13 0 0 76 13 1 -1 77 13 1 0 78 13 1 1 79 13 2 -2 80 13 2 -1 81 13 2 0 82 13 2 1 83 13 2 2 84 14 0 0 85 14 1 -1 86 14 1 0 87 14 1 1 88 14 2 -2 89 14 2 -1 90 14 2 0 91 14 2 1 92 14 2 2 93 15 0 0 94 15 1 -1 95 15 1 0 96 15 1 1 97 15 2 -2 98 15 2 -1 99 15 2 0 100 15 2 1 101 15 2 2 102 15 3 -3 103 15 3 -2 104 15 3 -1 105 15 3 0 106 15 3 1 107 15 3 2 108 15 3 3 109 16 0 0 110 16 1 -1 111 16 1 0 112 16 1 1 113 16 2 -2 114 16 2 -1 115 16 2 0 116 16 2 1 117 16 2 2 118 17 0 0 119 17 1 -1 120 17 1 0 121 17 1 1 122 17 2 -2 123 17 2 -1 124 17 2 0 125 17 2 1 126 17 2 2 127 18 0 0 128 18 1 -1 129 18 1 0 130 18 1 1 131 18 2 -2 132 18 2 -1 133 18 2 0 134 18 2 1 135 18 2 2 136 19 0 0 137 19 1 -1 138 19 1 0 139 19 1 1 140 19 2 -2 141 19 2 -1 142 19 2 0 143 19 2 1 144 19 2 2 145 20 0 0 146 20 1 -1 147 20 1 0 148 20 1 1 149 20 2 -2 150 20 2 -1 151 20 2 0 152 20 2 1 153 20 2 2 154 20 3 -3 155 20 3 -2 156 20 3 -1 157 20 3 0 158 20 3 1 159 20 3 2 160 20 3 3 161 21 0 0 162 21 1 -1 163 21 1 0 164 21 1 1 165 21 2 -2 166 21 2 -1 167 21 2 0 168 21 2 1 169 21 2 2 170 22 0 0 171 22 1 -1 172 22 1 0 173 22 1 1 174 22 2 -2 175 22 2 -1 176 22 2 0 177 22 2 1 178 22 2 2 179 23 0 0 180 23 1 -1 181 23 1 0 182 23 1 1 183 23 2 -2 184 23 2 -1 185 23 2 0 186 23 2 1 187 23 2 2 188 24 0 0 189 24 1 -1 190 24 1 0 191 24 1 1 192 24 2 -2 193 24 2 -1 194 24 2 0 195 24 2 1 196 24 2 2 197 25 0 0 198 26 0 0 199 27 0 0 200 28 0 0 201 29 0 0 202 30 0 0 203 #### Nuclear charge #### 92.0000000000000 14.0000000000000 44.0000000000000 14.0000000000000 92.0000000000000 14.0000000000000 44.0000000000000 14.0000000000000 1.000000000000000E-012 1.000000000000000E-012 1.000000000000000E-012 1.000000000000000E-012 1.000000000000000E-012 6.00000000000000 4.00000000000000 8.00000000000000 4.00000000000000 6.00000000000000 4.00000000000000 8.00000000000000 4.00000000000000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 8.00000000000000 0.000000000000000E+000 6.00000000000000 0.000000000000000E+000 8.00000000000000 0.000000000000000E+000 6.00000000000000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 78.0000000000000 10.0000000000000 30.0000000000000 10.0000000000000 78.0000000000000 10.0000000000000 30.0000000000000 10.0000000000000 1.000000000000000E-012 1.000000000000000E-012 1.000000000000000E-012 1.000000000000000E-012 1.000000000000000E-012